SCHEMBL5509960

SCHEMBL5509960

Cc1oc(-c2ccc(-c3ccccc3)c(S(C)(=O)=O)c2)nc1CCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.67
PDE10A Q9Y233 2/20 0.47
CCR2 P41597 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.43
PPARG P37231 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5509965 0.89 HRH3 (0.68) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL13807075 0.82 HRH3 (0.95) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL3578418 0.80 HRH3 (0.67) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL3578596 0.79 HRH3 (0.68) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL3583820 0.78 HRH3 (0.67) HRH3PDE10ACCR2TDP1KDM4E
Hydrochloric Acid SCHEMBL3591350 0.77 HRH3 (0.65) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL3586113 0.77 HRH3 (0.65) HRH3PDE10ACCR2TDP1KDM4E
Hydrochloric Acid SCHEMBL3580508 0.76 HRH3 (0.63) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL5501392 0.75 HRH3 (0.65) HRH3PDE10ACCR2TDP1KDM4E
SCHEMBL3585423 0.74 HRH3 (0.67) HRH3PDE10ACCR2TDP1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed